Summary

IMPPAT Phytochemical identifier: IMPHY017577

Phytochemical name: 2-Quinazolinamine, 3,4-dihydro-N,3-diphenyl-4-(phenylimino)-

Synonymous chemical names:
3,4-dihydro-n,3-diphenyl-4-(phenylimino)-2-quinazolinamine

External chemical identifiers:
CID:633611

---

Chemical structure information

SMILES:
c1ccc(cc1)Nc1c2ccccc2n/c(=Nc2ccccc2)/n1c1ccccc1

InChI:
InChI=1S/C26H20N4/c1-4-12-20(13-5-1)27-25-23-18-10-11-19-24(23)29-26(28-21-14-6-2-7-15-21)30(25)22-16-8-3-9-17-22/h1-19,27H/b28-26+

InChIKey:
IQIMLHUCXRFYBP-BYCLXTJYSA-N

DeepSMILES:
cccccc6))Nccccccc6n/c=Ncccccc6)))))))/n%10cccccc6

Functional groups:
c-n(c)c, c/N=c, cNc, cnc

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(N=c2nc3ccccc3c(Nc3ccccc3)n2-c2ccccc2)cc1

Scaffold Graph/Node level:
C1CCC(NC2NC3CCCCC3C(NC3CCCCC3)N2C2CCCCC2)CC1

Scaffold Graph level:
C1CCC(CC2CC3CCCCC3C(CC3CCCCC3)C2C2CCCCC2)CC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Diazanaphthalenes

ClassyFire Subclass: Benzodiazines

NP Classifier Biosynthetic pathway: Alkaloids, Shikimates and Phenylpropanoids

NP Classifier Superclass: Anthranilic acid alkaloids

NP-Likeness score: -0.976

---

Chemical structure download